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2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzoate

2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzoate

Systemtic Name:2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzoate
Openeye Name:2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzoate
CAS Name:2-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]benzoate
IUPAC Name:2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzoate
Traditional Name:2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzoate
Formula: C21H26N2O3
MolecularWeight: 354.44274
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3


Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3


InChI

InChI=1S/C21H26N2O3/c24-21(25)19-9-4-5-10-20(19)26-16-6-11-22-12-14-23(15-13-22)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,25)


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